3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide

C14H22N4O — CID 62831331

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ncnc2c1CCC2
InChIInChI=1S/C14H22N4O/c1-3-18(4-2)13(19)8-9-15-14-11-6-5-7-12(11)16-10-17-14/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyMUURTEOJDCVGAY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.64
Rot. Bonds6

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide (PubChem CID 62831331) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide
PubChem CID62831331
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ncnc2c1CCC2
InChIInChI=1S/C14H22N4O/c1-3-18(4-2)13(19)8-9-15-14-11-6-5-7-12(11)16-10-17-14/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyMUURTEOJDCVGAY-UHFFFAOYSA-N
XLogP1.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide (CID 62831331) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1ncnc2c1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide?
The InChIKey is MUURTEOJDCVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-18(4-2)13(19)8-9-15-14-11-6-5-7-12(11)16-10-17-14/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide has a molecular weight of 262.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 62831331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).